Grundinformationen
- Standard-SMILES
O=C1Cc2cc(F)ccc2N1- InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N- Summenformel
- C8H6FNO
- Durchschnittliche Molmasse
- 151,14 g/mol
- Monoisotopische Masse
- 151,04334198
Namen und Bezeichner
- Bevorzugter Name
- 5-fluoro-1,3-dihydro-2H-indol-2-one
- IUPAC
- 5-fluoro-1,3-dihydroindol-2-one
- Englischer Name
- 5-Fluoro-2-oxindole
- Summenformel
- C8H6FNO
- Molmasse
- 151.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
56341-41-4- PubChem CID
- 3731012
- DTXSID
DTXSID40395649- ChEMBL
CHEMBL6148002- UNII
- 4EW64J5JHC
- EC Number
- 638-803-9
- Nikkaji
- J416.476H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- Schmelzpunkt
- 143 · 143-147 °C (lit.)
- Siedepunkt
- 307.2 · 307.2±42.0 °C(Predicted)
- Dichte
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 12.99 · 12.99±0.20(Predicted)
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White to pale brown
- InChI
- InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
- InChIKey
- DDIIYGHHUMKDGI-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(F)C=C2)CC1=O
- CAS Datenbank
- 56341 · 56341-41-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.7% (1 of 37) of reports.
Danger
H301 (78.4%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (18.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 37 reports by companies.;There are 3 notifications provided by 36 of 37 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-34
- hazard_code
- Xi,C
- hazard_note
- Irritant/Keep Cold
- safety_code
- 22-24/25-45-36/37/39-27-26
- hazard_class
- IRRITANT, KEEP COLD
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.
Darstellung
synthetischesynthesis of 5-fluoro-2-oxindole: 4-fluoroaniline was used as the starting material, reacted with chloral hydrate and hydroxylamine hydrochloride to generate 4-fluoroisonitrosoacetanilide, and then cyclized under the action of concentrated sulfuric acid to form the compound 5-fluoroisatin was finally obtained by wolff-kishner-huang minlon reduction to obtain 5-fluoro-2-oxindole with a total yield of 66%.
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